1-[4-fluoro-3-(trifluoromethyl)phenyl]-N-propylpent-3-yn-1-amine

C15H17F4N — CID 115820026

IUPAC1-[4-fluoro-3-(trifluoromethyl)phenyl]-N-propylpent-3-yn-1-amine
SMILESCC#CCC(NCCC)c1ccc(F)c(C(F)(F)F)c1
InChIInChI=1S/C15H17F4N/c1-3-5-6-14(20-9-4-2)11-7-8-13(16)12(10-11)15(17,18)19/h7-8,10,14,20H,4,6,9H2,1-2H3
InChIKeyLNXNFTKQBJOUIN-UHFFFAOYSA-N
MW287.30 g/mol
LogP4.30
Rot. Bonds5

About 1-[4-fluoro-3-(trifluoromethyl)phenyl]-N-propylpent-3-yn-1-amine

1-[4-fluoro-3-(trifluoromethyl)phenyl]-N-propylpent-3-yn-1-amine (PubChem CID 115820026) has the molecular formula C15H17F4N and a molecular weight of 287.30 g/mol. Its IUPAC name is 1-[4-fluoro-3-(trifluoromethyl)phenyl]-N-propylpent-3-yn-1-amine.

Molecular Properties

Compound Name1-[4-fluoro-3-(trifluoromethyl)phenyl]-N-propylpent-3-yn-1-amine
PubChem CID115820026
Molecular FormulaC15H17F4N
Molecular Weight287.30 g/mol
Exact Mass287.13
IUPAC Name1-[4-fluoro-3-(trifluoromethyl)phenyl]-N-propylpent-3-yn-1-amine
SMILESCC#CCC(NCCC)c1ccc(F)c(C(F)(F)F)c1
InChIInChI=1S/C15H17F4N/c1-3-5-6-14(20-9-4-2)11-7-8-13(16)12(10-11)15(17,18)19/h7-8,10,14,20H,4,6,9H2,1-2H3
InChIKeyLNXNFTKQBJOUIN-UHFFFAOYSA-N
XLogP4.30
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.30
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

3,3,3-trifluoro-1-[4-fluoro-3-(trifluoromethyl)phenyl]-N-propylpropan-1-amine
CID 107288813
1-[4-fluoro-3-(trifluoromethyl)phenyl]-3-methylsulfanyl-N-propylpropan-1-amine
CID 107291810
N-[2-cyclopropyl-1-[4-fluoro-3-(trifluoromethyl)phenyl]ethyl]propan-1-amine
CID 104986585
1-(3,4-difluorophenyl)-N-propylhex-4-yn-1-amine
CID 104804644
1-[4-fluoro-3-(trifluoromethyl)phenyl]-2-methyl-N-propylprop-2-en-1-amine
CID 105005621
1-(4-chloro-3-methylphenyl)-N-propylpent-3-yn-1-amine
CID 115819640
1-(3,4-diethoxyphenyl)-N-propylpent-3-yn-1-amine
CID 115819147
1-[4-fluoro-3-(trifluoromethyl)phenyl]-2-methyl-N-propylpentan-1-amine
CID 107291848
N-propyl-1-(2,4,6-trifluorophenyl)pent-3-yn-1-amine
CID 115819841
1-(2,6-difluorophenyl)-N-propylpent-3-yn-1-amine
CID 79522889
1-(2,3-dihydro-1-benzofuran-5-yl)-N-propylpent-3-yn-1-amine
CID 115819586
N-[[4-fluoro-3-(trifluoromethyl)phenyl]-(2-methylcyclopropyl)methyl]propan-1-amine
CID 107289047

Frequently Asked Questions

What is the IUPAC name of 1-[4-fluoro-3-(trifluoromethyl)phenyl]-N-propylpent-3-yn-1-amine?
The IUPAC name of 1-[4-fluoro-3-(trifluoromethyl)phenyl]-N-propylpent-3-yn-1-amine (CID 115820026) is 1-[4-fluoro-3-(trifluoromethyl)phenyl]-N-propylpent-3-yn-1-amine.
What is the SMILES notation for 1-[4-fluoro-3-(trifluoromethyl)phenyl]-N-propylpent-3-yn-1-amine?
The canonical SMILES for 1-[4-fluoro-3-(trifluoromethyl)phenyl]-N-propylpent-3-yn-1-amine is CC#CCC(NCCC)c1ccc(F)c(C(F)(F)F)c1.
What is the InChIKey of 1-[4-fluoro-3-(trifluoromethyl)phenyl]-N-propylpent-3-yn-1-amine?
The InChIKey is LNXNFTKQBJOUIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F4N/c1-3-5-6-14(20-9-4-2)11-7-8-13(16)12(10-11)15(17,18)19/h7-8,10,14,20H,4,6,9H2,1-2H3.
What are the key properties of 1-[4-fluoro-3-(trifluoromethyl)phenyl]-N-propylpent-3-yn-1-amine?
1-[4-fluoro-3-(trifluoromethyl)phenyl]-N-propylpent-3-yn-1-amine has a molecular weight of 287.30 g/mol, XLogP of 4.30, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-fluoro-3-(trifluoromethyl)phenyl]-N-propylpent-3-yn-1-amine is sourced from PubChem (CID 115820026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).